| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | P0846316GX |
| EPA CompTox | DTXSID9059599 |
| InChI Key | MBIJFIUDKPXMAV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H6N2O6 |
| Molecular Weight | 298.02 |
| AlogP | 2.28 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 120.42 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 129-39-5 |
| NORMAN SUSDAT | |
| FDA SRS | P0846316GX |
| PubChem | 67210 |
| ChemSpider | 60547.0 |